1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]

C21H32N2 — CID 121359802

IUPAC1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
SMILESCN1CCc2ccccc2C12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H32N2/c1-22-14-11-19-9-5-6-10-20(19)21(22)12-15-23(16-13-21)17-18-7-3-2-4-8-18/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3
InChIKeyBJFNUBIMEJIJKI-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.05
Rot. Bonds2

About 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]

1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine] (PubChem CID 121359802) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
PubChem CID121359802
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
SMILESCN1CCc2ccccc2C12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H32N2/c1-22-14-11-19-9-5-6-10-20(19)21(22)12-15-23(16-13-21)17-18-7-3-2-4-8-18/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3
InChIKeyBJFNUBIMEJIJKI-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586714
1'-(oxan-4-ylmethyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]
CID 121359677
1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 134788002
1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134788957
3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 84601499
2-methyl-1'-(2-propylhex-5-enyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 138748969
1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
CID 119932289
CID 59432259
CID 59432259
cyclohexanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339125
CID 134790084
CID 134790084
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
1'-(cyclohexylmethyl)spiro[2,4-dihydro-1,4-benzoxazepine-3,4'-piperidine]-5-one
CID 134794729

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The IUPAC name of 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine] (CID 121359802) is 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine].
What is the SMILES notation for 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The canonical SMILES for 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine] is CN1CCc2ccccc2C12CCN(CC1CCCCC1)CC2.
What is the InChIKey of 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The InChIKey is BJFNUBIMEJIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-22-14-11-19-9-5-6-10-20(19)21(22)12-15-23(16-13-21)17-18-7-3-2-4-8-18/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3.
What are the key properties of 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine] has a molecular weight of 312.50 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine] is sourced from PubChem (CID 121359802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).